4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol

C18H24N2O — CID 154774222

IUPAC4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol
SMILESCC(=NN=C1CC2CCC1(C)C2(C)C)c1ccc(O)cc1
InChIInChI=1S/C18H24N2O/c1-12(13-5-7-15(21)8-6-13)19-20-16-11-14-9-10-18(16,4)17(14,2)3/h5-8,14,21H,9-11H2,1-4H3
InChIKeyMGLJXVQTIOVUIH-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.40
Rot. Bonds2

About 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol

4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol (PubChem CID 154774222) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol
PubChem CID154774222
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol
SMILESCC(=NN=C1CC2CCC1(C)C2(C)C)c1ccc(O)cc1
InChIInChI=1S/C18H24N2O/c1-12(13-5-7-15(21)8-6-13)19-20-16-11-14-9-10-18(16,4)17(14,2)3/h5-8,14,21H,9-11H2,1-4H3
InChIKeyMGLJXVQTIOVUIH-UHFFFAOYSA-N
XLogP4.40
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
4-methoxy-2-[(E)-C-methyl-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol
CID 135558367
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide
CID 170856544
4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide
CID 6747304
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 135490404
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide
CID 170855981
methyl 4-[[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamoyl]benzoate
CID 9371298
N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine
CID 23308484
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 4633669
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23350614

Frequently Asked Questions

What is the IUPAC name of 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol?
The IUPAC name of 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol (CID 154774222) is 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol?
The canonical SMILES for 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol is CC(=NN=C1CC2CCC1(C)C2(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol?
The InChIKey is MGLJXVQTIOVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(13-5-7-15(21)8-6-13)19-20-16-11-14-9-10-18(16,4)17(14,2)3/h5-8,14,21H,9-11H2,1-4H3.
What are the key properties of 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol?
4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol is sourced from PubChem (CID 154774222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).